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Geometry for CF3CF2Cl (pentafluorochloroethane) 1A' CS

1910171554
InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8 INChIKey=RFCAUADVODFSLZ-UHFFFAOYSA-N

HSEh1PBE/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0878 -0.6324 0.0000   -0.4466 0.4562 0.0000
C2 -0.6253 0.7363 0.0000   0.9406 -0.2201 0.0000
Cl3 1.8429 -0.4473 0.0000   -1.7476 -0.7364 0.0000
F4 -0.2953 -1.3076 1.0856   -0.5402 1.2269 1.0856
F5 -0.2953 -1.3076 -1.0856   -0.5402 1.2269 -1.0856
F6 -1.9415 0.5316 0.0000   1.8770 0.7273 0.0000
F7 -0.2953 1.4296 1.0847   1.0876 -0.9737 1.0847
F8 -0.2953 1.4296 -1.0847   1.0876 -0.9737 -1.0847
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 F6 F7 F8
C1 1.5433 1.7649 1.3346 1.3346 2.3394 2.3612 2.3612
C2 1.5433 2.7373 2.3378 2.3378 1.3321 1.3290 1.3290
Cl3 1.7649 2.7373 2.5477 2.5477 3.9090 3.0449 3.0449
F4 1.3346 2.3378 2.5477 2.1712 2.6965 2.7373 3.4933
F5 1.3346 2.3378 2.5477 2.1712 2.6965 3.4933 2.7373
F6 2.3394 1.3321 3.9090 2.6965 2.6965 2.1664 2.1664
F7 2.3612 1.3290 3.0449 2.7373 3.4933 2.1664 2.1695
F8 2.3612 1.3290 3.0449 3.4933 2.7373 2.1664 2.1695
Maximum atom distance is 3.9090Å between atoms Cl3 and F6.
picture of pentafluorochloroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 108.677 C1 C2 F7 110.361
C1 C2 F8 110.361 C2 C1 Cl3 111.498
C2 C1 F4 108.427 C2 C1 F5 108.427
Cl3 C1 F4 109.786 Cl3 C1 F5 109.786
F4 C1 F5 108.859 F6 C2 F7 108.998
F6 C2 F8 108.998 F7 C2 F8 109.413

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.